SCHEMBL20180230

SCHEMBL20180230

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(-c6ccc7c(cnn7-c7cccc(-c8cccc(-c9cccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)c9)c8)c7)c6)c5)c4)c3)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 10/20 0.59
PGR P06401 5/20 0.51
KHK P50053 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.42
CYP11B2 P19099 1/20 0.41
HPGD P15428 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK10 P53779 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20180412 0.99 NR3C1 (0.61) NR3C1PGRKHKIRAK4CYP11B2
SCHEMBL20180178 0.93 NR3C1 (0.55) NR3C1PGRKHKIRAK4CYP11B2
SCHEMBL20180304 0.90 NR3C1 (0.47) NR3C1PGRKHKIRAK4CYP11B2
SCHEMBL20180188 0.90 NR3C1 (0.48) NR3C1PGRKHKIRAK4
SCHEMBL20180350 0.88 NR3C1 (0.45) NR3C1PGRKHKIRAK4
SCHEMBL20180414 0.85 NR3C1 (0.52) NR3C1PGRKHKIRAK4
SCHEMBL20180181 0.83 NR3C1 (0.44) NR3C1PGRKHKIRAK4
SCHEMBL20180183 0.82 NPC1 (0.40) NR3C1KHKIRAK4
SCHEMBL15811227 0.80 NR3C1 (0.47) NR3C1PGRKHKIRAK4
SCHEMBL18280709 0.78 NR3C1 (0.60) NR3C1PGRCYP11B2MAPK8MAPK10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018093107-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 2018-05-24 WO disclosed